1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one

C10H17NO3S — CID 79546790

IUPAC1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one
SMILESCC(=O)CC1CCCN1S(=O)(=O)C1CC1
InChIInChI=1S/C10H17NO3S/c1-8(12)7-9-3-2-6-11(9)15(13,14)10-4-5-10/h9-10H,2-7H2,1H3
InChIKeyUSRJFMQYPLBQOF-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.92
Rot. Bonds4

About 1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one

1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one (PubChem CID 79546790) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one
PubChem CID79546790
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one
SMILESCC(=O)CC1CCCN1S(=O)(=O)C1CC1
InChIInChI=1S/C10H17NO3S/c1-8(12)7-9-3-2-6-11(9)15(13,14)10-4-5-10/h9-10H,2-7H2,1H3
InChIKeyUSRJFMQYPLBQOF-UHFFFAOYSA-N
XLogP0.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546293
1-(1-tert-butylsulfonylpiperidin-2-yl)propan-2-one
CID 79549113
methyl 2-[2-(2-oxopropyl)pyrrolidin-1-yl]sulfonylacetate
CID 79546798
N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide
CID 114815362
1-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546215
1-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79539023
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
1-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79545883
1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 80577652
1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546130

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one?
The IUPAC name of 1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one (CID 79546790) is 1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one?
The canonical SMILES for 1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one is CC(=O)CC1CCCN1S(=O)(=O)C1CC1.
What is the InChIKey of 1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one?
The InChIKey is USRJFMQYPLBQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-8(12)7-9-3-2-6-11(9)15(13,14)10-4-5-10/h9-10H,2-7H2,1H3.
What are the key properties of 1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one?
1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one has a molecular weight of 231.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylsulfonylpyrrolidin-2-yl)propan-2-one is sourced from PubChem (CID 79546790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).